(phenylmethyl) N-[(2S)-1-isothiocyanatopropan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-isothiocyanatopropan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-isothiocyanato-1-methyl-ethyl]carbamate CAS Name: N-[(2S)-1-isothiocyanatopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-isothiocyanatopropan-2-yl]carbamate Traditional Name: N-[(1S)-2-isothiocyanato-1-methyl-ethyl]carbamic acid benzyl ester Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN=C=S)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

C[C@@H](CN=C=S)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C12H14N2O2S/c1-10(7-13-9-17)14-12(15)16-8-11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3,(H,14,15)/t10-/m0/s1